Oncological Ligand-Target Binding Systems and Developmental Approaches for Cancer Theranostics.

摘要: Targeted treatment of cancer hinges on the identification specific intracellular molecular receptors cells to stimulate apoptosis for eventually inhibiting growth; development novel ligands target biomarkers expressed by cells; and creation multifunctional carrier systems targeted delivery anticancer drugs malignant sites. There are numerous receptors, antigens, that have been discovered as oncological targets (oncotargets) diagnosis applications. Oncotargets critically important navigate active drug ingredients disease sites with no/minimal effect surrounding normal cells. In silico techniques relating genomics, proteomics, bioinformatics catalyzed discovery oncotargets various types. Effective oncotargeting requires high-affinity probes engineered binding associated malignancy. Computational methods such structural modeling dynamic (MD) simulations offer opportunities structurally design optimize affinity oncotargets. This article proposes a streamlined approach ligand-oncotarget bioaffinity via integrated MD simulations, making use genomic, X-ray crystallographic resources, support cancers tumors.